2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluoropyridine-4-carboxylic acid

C14H15FN2O2S — CID 105382070

IUPAC2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluoropyridine-4-carboxylic acid
SMILESCc1cc(C(C)Nc2nccc(C(=O)O)c2F)c(C)s1
InChIInChI=1S/C14H15FN2O2S/c1-7-6-11(9(3)20-7)8(2)17-13-12(15)10(14(18)19)4-5-16-13/h4-6,8H,1-3H3,(H,16,17)(H,18,19)
InChIKeyRBRFUHRVSPMZNX-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.77
Rot. Bonds4

About 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluoropyridine-4-carboxylic acid

2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluoropyridine-4-carboxylic acid (PubChem CID 105382070) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluoropyridine-4-carboxylic acid
PubChem CID105382070
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluoropyridine-4-carboxylic acid
SMILESCc1cc(C(C)Nc2nccc(C(=O)O)c2F)c(C)s1
InChIInChI=1S/C14H15FN2O2S/c1-7-6-11(9(3)20-7)8(2)17-13-12(15)10(14(18)19)4-5-16-13/h4-6,8H,1-3H3,(H,16,17)(H,18,19)
InChIKeyRBRFUHRVSPMZNX-UHFFFAOYSA-N
XLogP3.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluoropyridine-4-carboxylic acid (CID 105382070) is 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluoropyridine-4-carboxylic acid is Cc1cc(C(C)Nc2nccc(C(=O)O)c2F)c(C)s1.
What is the InChIKey of 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluoropyridine-4-carboxylic acid?
The InChIKey is RBRFUHRVSPMZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-7-6-11(9(3)20-7)8(2)17-13-12(15)10(14(18)19)4-5-16-13/h4-6,8H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluoropyridine-4-carboxylic acid?
2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluoropyridine-4-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105382070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).